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tert-butyl 2-(4,5-dibromo-1H-imidazol-2-yl)piperidine-1-carboxylate
SpectraBase Compound ID EbAwyf6qxB8
InChI InChI=1S/C13H19Br2N3O2/c1-13(2,3)20-12(19)18-7-5-4-6-8(18)11-16-9(14)10(15)17-11/h8H,4-7H2,1-3H3,(H,16,17)
InChIKey KLCJWFOWULMYTR-UHFFFAOYSA-N
Mol Weight 409.12 g/mol
Molecular Formula C13H19Br2N3O2
Exact Mass 406.984403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G55uRfTQOGs
Name tert-butyl 2-(4,5-dibromo-1H-imidazol-2-yl)piperidine-1-carboxylate
Appearance White solid
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Formula C13H19Br2N3O2
InChI InChI=1S/C13H19Br2N3O2/c1-13(2,3)20-12(19)18-7-5-4-6-8(18)11-16-9(14)10(15)17-11/h8H,4-7H2,1-3H3,(H,16,17)
InChIKey KLCJWFOWULMYTR-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 409.122 g/mol
SMILES [nH]1c(c(nc1C1N(C(OC(C)(C)C)=O)CCCC1)Br)Br
SPLASH splash10-0zfr-1092000000-c89802c9b3012de17511
Source of Spectrum WO2021074281A1
Wiley ID 1880038